{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.507111 0.25 0.219813 ] [ 0.992889 0.25 0.719813 ] [ 0.007111 0.75 0.280187 ] [ 0.492889 0.75 0.780187 ] [ 0.433133 0.25 0.909225 ] [ 0.566867 0.75 0.090775 ] [ 0.933133 0.75 0.590775 ] [ 0.066867 0.25 0.409225 ] [ 0.270652 0.459162 0.83661 ] [ 0.270652 0.040838 0.83661 ] [ 0.723245 0.75 0.948672 ] [ 0.725382 0.25 0.407242 ] [ 0.229348 0.040838 0.33661 ] [ 0.223245 0.25 0.551328 ] [ 0.770652 0.540838 0.66339 ] [ 0.274618 0.75 0.592758 ] [ 0.229348 0.459162 0.33661 ] [ 0.774618 0.25 0.907242 ] [ 0.225382 0.75 0.092758 ] [ 0.729348 0.540838 0.16339 ] [ 0.770652 0.959162 0.66339 ] [ 0.729348 0.959162 0.16339 ] [ 0.276755 0.25 0.051328 ] [ 0.776755 0.75 0.448672 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.39248531 "source-unit" "angstrom" } "b" { "source-value" 6.89319257 "source-unit" "angstrom" } "c" { "source-value" 11.90555242 "source-unit" "angstrom" } }